Geometry & MOs

Info

ID:	313750
PubChem CID:	126617407
Reduced:	SO4N5H19C20 (1)
Stoich.:	AB4C5D19E20 (1)
Weight, g/mol:	387.180758
ΔH_f, kcal/mol:	-44.85
Dipole, Da:	10.01
IP(EA), eV:	-8.91(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[3-amino-4-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazol-1-yl]-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCC2=NC(=O)C3=C(N2)C(=NC=C3)C4=CSC(=N4)NCCO

DOS

IR

Vibrations